SCHEMBL4431430

SCHEMBL4431430

CCCOc1c(-c2ccccc2)cc(N)cc1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.42
GAA P10253 4/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
MGAM O43451 3/20 0.40
SI P14410 3/20 0.40
MGAM2 Q2M2H8 3/20 0.40
TLR8 Q9NR97 1/20 0.40
CREB1 P16220 1/20 0.39
SOAT1 P35610 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4428671 0.89 SOAT1 (0.52) MEN1MAPTKMT2ATLR8SOAT1
SCHEMBL28049521 0.86 ALDH1A1 (0.46) PTGDR2GAAKDM4ETP53ALDH1A1
SCHEMBL14318446 0.82 ADRB2 (0.45) KDM4ETP53ALDH1A1KMT2ACREB1
SCHEMBL27902946 0.77 TP53 (0.54) PTGDR2GAAKDM4ETP53ALDH1A1
SCHEMBL29113865 0.76 PDE4B (0.51) PTGDR2ALDH1A1MAPTCASP1RAB9A
SCHEMBL5764075 0.74 HDAC8 (0.43) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL9621759 0.74 CYP1A2 (0.46) KDM4EALDH1A1TLR8SOAT1HDAC8
SCHEMBL29408296 0.74 PDE4B (0.41) PTGDR2FYN
SCHEMBL22658141 0.74 PDE4B (0.41) PTGDR2FYN
SCHEMBL4426326 0.74 NAPRT (0.45) KDM4EALDH1A1MEN1MAPTKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547783-B2 Transition metal complexes SHELL OIL COMPANY (US) 2009-06-16 US disclosed
US-7547783-B2 Transition metal complexes SHELL OIL COMPANY (US) 2009-06-16 US disclosed
US-7547783-B2 Transition metal complexes SHELL OIL COMPANY (US) 2009-06-16 US disclosed
EP-1740598-B1 TRANSITION METAL COMPLEXES SHELL INT RESEARCH (NL) 2008-03-05 EP disclosed
EP-1740598-B1 TRANSITION METAL COMPLEXES SHELL INT RESEARCH (NL) 2008-03-05 EP disclosed
EP-1740598-A1 TRANSITION METAL COMPLEXES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2007-01-10 EP disclosed
US-20050215792-A1 Transition metal complexes SHELL OIL COMPANY 2005-09-29 US disclosed
WO-2005090371-A1 TRANSITION METAL COMPLEXES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-09-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050215792-A1 Transition metal complexes NCLN, PRNP, PARN PTGDR2 3831/4885GAA 4149/4885KDM4E 3351/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.